[1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] 2-bromanylbenzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-phenoxypropan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] ester Formula: C24H21BrN2O5S MolecularWeight: 529.40294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC=C2Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC=C2Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H21BrN2O5S/c1-27(23-20-12-6-8-14-22(20)33(29,30)26-23)15-18(16-31-17-9-3-2-4-10-17)32-24(28)19-11-5-7-13-21(19)25/h2-14,18H,15-16H2,1H3